2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide

C10H14ClIN4 — CID 110916460

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)NC1CC1
InChIInChI=1S/C10H13ClN4.HI/c11-9-4-1-7(5-13-9)6-14-10(12)15-8-2-3-8;/h1,4-5,8H,2-3,6H2,(H3,12,14,15);1H
InChIKeyIAWRQVRWIMJULM-UHFFFAOYSA-N
MW352.61 g/mol
LogP1.92
Rot. Bonds3

About 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide

2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide (PubChem CID 110916460) has the molecular formula C10H14ClIN4 and a molecular weight of 352.61 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
PubChem CID110916460
Molecular FormulaC10H14ClIN4
Molecular Weight352.61 g/mol
Exact Mass352.00
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)NC1CC1
InChIInChI=1S/C10H13ClN4.HI/c11-9-4-1-7(5-13-9)6-14-10(12)15-8-2-3-8;/h1,4-5,8H,2-3,6H2,(H3,12,14,15);1H
InChIKeyIAWRQVRWIMJULM-UHFFFAOYSA-N
XLogP1.92
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylguanidine
CID 62532592
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
2-[(4-cyanophenyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110911948
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111041913
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide (CID 110916460) is 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide is I.N/C(=N\Cc1ccc(Cl)nc1)NC1CC1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide?
The InChIKey is IAWRQVRWIMJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4.HI/c11-9-4-1-7(5-13-9)6-14-10(12)15-8-2-3-8;/h1,4-5,8H,2-3,6H2,(H3,12,14,15);1H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide?
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide has a molecular weight of 352.61 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide is sourced from PubChem (CID 110916460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).